2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one

C16H13F2NO3 — CID 56957017

IUPAC2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one
SMILESCC(C)n1c2cc(O)c(F)cc2c(=O)c2cc(F)c(O)cc21
InChIInChI=1S/C16H13F2NO3/c1-7(2)19-12-5-14(20)10(17)3-8(12)16(22)9-4-11(18)15(21)6-13(9)19/h3-7,20-21H,1-2H3
InChIKeyYQJABLPTALJDFU-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.42
Rot. Bonds1

About 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one

2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one (PubChem CID 56957017) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one.

Molecular Properties

Compound Name2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one
PubChem CID56957017
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC Name2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one
SMILESCC(C)n1c2cc(O)c(F)cc2c(=O)c2cc(F)c(O)cc21
InChIInChI=1S/C16H13F2NO3/c1-7(2)19-12-5-14(20)10(17)3-8(12)16(22)9-4-11(18)15(21)6-13(9)19/h3-7,20-21H,1-2H3
InChIKeyYQJABLPTALJDFU-UHFFFAOYSA-N
XLogP3.42
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one?
The IUPAC name of 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one (CID 56957017) is 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one.
What is the SMILES notation for 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one?
The canonical SMILES for 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one is CC(C)n1c2cc(O)c(F)cc2c(=O)c2cc(F)c(O)cc21.
What is the InChIKey of 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one?
The InChIKey is YQJABLPTALJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c1-7(2)19-12-5-14(20)10(17)3-8(12)16(22)9-4-11(18)15(21)6-13(9)19/h3-7,20-21H,1-2H3.
What are the key properties of 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one?
2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one has a molecular weight of 305.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one is sourced from PubChem (CID 56957017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).